#------------------------------------------------------------------------------
#$Date: 2023-12-08 16:16:31 +0200 (Fri, 08 Dec 2023) $
#$Revision: 288183 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/31/99/4319903.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4319903
loop_
_publ_author_name
'Orde Q. Munro'
'Sibongiseni C. Shabalala'
'Nicola J. Brown'
_publ_section_title
;
 Structural, Computational, and 59Co NMR Studies of Primary and Secondary
 Amine Complexes of Co(III) Porphyrins
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3303
_journal_page_last               3317
_journal_paper_doi               10.1021/ic000976c
_journal_volume                  40
_journal_year                    2001
_chemical_formula_moiety         'C60 H50 Co F6 N6 Sb'
_chemical_formula_sum            'C60 H50 Co F6 N6 Sb'
_chemical_formula_weight         1149.74
_chemical_melting_point          ?
_chemical_name_common            '[Co(TPP)(PhCH2CH2NH2)2]SbF6'
_chemical_name_systematic
; 
bis(phenethylamine)(5,10,15,20-mesotetraphenylporphinato)cobalt(III)
hexafluoroantimonate(V)  
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 94.2140(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.6378(5)
_cell_length_b                   22.0466(11)
_cell_length_c                   10.9585(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      12
_cell_measurement_theta_min      2
_cell_volume                     2563.1(2)
_computing_cell_refinement       SAINT
_computing_data_collection       SAINT
_computing_data_reduction        SAINT
_computing_molecular_graphics    'OSCAIL 8 (P. McArdle, 1999)'
_computing_publication_material  'ORTEP32 (L. J. Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 0.9
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'SIEMENS SMART 1000'
_diffrn_measurement_method       'Ellipsoid-mask fitting'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0255
_diffrn_reflns_av_sigmaI/netI    0.0314
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            28353
_diffrn_reflns_theta_full        28.29
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         5.56
_diffrn_standards_decay_%        'No detectable decay'
_exptl_absorpt_coefficient_mu    0.919
_exptl_absorpt_correction_T_max  0.7701
_exptl_absorpt_correction_T_min  0.7100
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   None
_exptl_crystal_colour            Purple
_exptl_crystal_density_diffrn    1.490
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'Irregular rhomb'
_exptl_crystal_F_000             1168
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.350
_refine_diff_density_min         -0.475
_refine_diff_density_rms         0.054
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.524(13)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.109
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     740
_refine_ls_number_reflns         12360
_refine_ls_number_restraints     389
_refine_ls_restrained_S_all      1.093
_refine_ls_R_factor_all          0.0388
_refine_ls_R_factor_gt           0.0334
_refine_ls_shift/su_max          0.689
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0206P)²+2.2464P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0708
_refine_ls_wR_factor_ref         0.0745
_reflns_number_gt                11393
_reflns_number_total             12360
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic000976c_3.cif
_cod_data_source_block           scs3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'Not measured' was changed to '?' -
the value is undefined or not given.

Automatic conversion script
Id: cif_fix_values 1569 2011-02-09 13:29:24Z adriana 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'None' changed to
'none' according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

data name '_atom_site_symetry_multiplicity' was replaced with
'_atom_site_symmetry_multiplicity' as specified in the replacement
file 'data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 9268 2022-04-12 08:56:07Z antanas 
;
_cod_database_code               4319903
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Co Co 0.97018(3) 0.09722(3) 0.76811(3) 0.01690(7) Uani 1 1 d . B .
N1 N 0.9042(2) 0.16790(11) 0.6709(2) 0.0209(5) Uani 1 1 d . . .
N2 N 0.8112(2) 0.05254(11) 0.7231(2) 0.0207(5) Uani 1 1 d . . .
N3 N 1.0356(2) 0.02648(11) 0.8648(2) 0.0203(5) Uani 1 1 d . . .
N4 N 1.1293(2) 0.14171(11) 0.8127(2) 0.0195(5) Uani 1 1 d . . .
N5 N 1.0391(2) 0.06937(11) 0.6156(2) 0.0233(5) Uani 1 1 d . . .
H5A H 0.9750 0.0489 0.5722 0.028 Uiso 1 1 calc R . .
H5B H 1.0545 0.1037 0.5713 0.028 Uiso 1 1 calc R . .
N6 N 0.9025(2) 0.12582(11) 0.9218(2) 0.0251(5) Uani 1 1 d . . .
H6A H 0.8881 0.0919 0.9677 0.030 Uiso 1 1 calc R A 1
H6B H 0.9660 0.1472 0.9640 0.030 Uiso 1 1 calc R A 1
CA1 C 0.9643(3) 0.22275(13) 0.6555(3) 0.0231(6) Uani 1 1 d . . .
CA2 C 0.7881(3) 0.17367(13) 0.6083(3) 0.0235(6) Uani 1 1 d . . .
CA3 C 0.7075(3) 0.07257(13) 0.6497(3) 0.0212(6) Uani 1 1 d . . .
CA4 C 0.7850(3) -0.00769(12) 0.7485(2) 0.0209(5) Uani 1 1 d . . .
CA5 C 0.9770(3) -0.02828(13) 0.8791(3) 0.0224(5) Uani 1 1 d . . .
CA6 C 1.1481(3) 0.02281(13) 0.9375(3) 0.0228(5) Uani 1 1 d . . .
CA7 C 1.2329(3) 0.12128(13) 0.8845(3) 0.0218(5) Uani 1 1 d . . .
CA8 C 1.1603(3) 0.19916(13) 0.7774(3) 0.0228(5) Uani 1 1 d . . .
CB1 C 0.8830(3) 0.26361(14) 0.5846(3) 0.0313(7) Uani 1 1 d . . .
HB1 H 0.9024 0.3040 0.5622 0.038 Uiso 1 1 calc R . .
CB2 C 0.7744(3) 0.23400(14) 0.5559(3) 0.0332(7) Uani 1 1 d . . .
HB2 H 0.7024 0.2496 0.5100 0.040 Uiso 1 1 calc R . .
CB3 C 0.6180(3) 0.02468(13) 0.6298(3) 0.0253(6) Uani 1 1 d . . .
HB3 H 0.5394 0.0272 0.5830 0.030 Uiso 1 1 calc R . .
CB4 C 0.6652(3) -0.02488(13) 0.6897(3) 0.0257(6) Uani 1 1 d . . .
HB4 H 0.6265 -0.0636 0.6925 0.031 Uiso 1 1 calc R . .
CB5 C 1.0509(3) -0.06636(14) 0.9634(3) 0.0293(6) Uani 1 1 d . . .
HB5 H 1.0299 -0.1060 0.9889 0.035 Uiso 1 1 calc R . .
CB6 C 1.1565(3) -0.03453(14) 0.9994(3) 0.0288(6) Uani 1 1 d . . .
HB6 H 1.2235 -0.0478 1.0552 0.035 Uiso 1 1 calc R . .
CB7 C 1.3295(3) 0.16714(14) 0.8933(3) 0.0262(6) Uani 1 1 d . . .
HB7 H 1.4095 0.1643 0.9375 0.031 Uiso 1 1 calc R . .
CB8 C 1.2845(3) 0.21484(14) 0.8269(3) 0.0277(6) Uani 1 1 d . . .
HB8 H 1.3272 0.2520 0.8149 0.033 Uiso 1 1 calc R . .
CM1 C 0.6943(3) 0.13015(14) 0.5970(3) 0.0232(6) Uani 1 1 d . . .
CM2 C 0.8623(3) -0.04659(13) 0.8201(3) 0.0223(5) Uani 1 1 d . . .
CM3 C 1.2434(3) 0.06572(13) 0.9446(3) 0.0214(5) Uani 1 1 d . . .
CM4 C 1.0849(3) 0.23818(13) 0.7041(3) 0.0232(5) Uani 1 1 d . . .
C11 C 0.5736(3) 0.14558(13) 0.5249(3) 0.0234(6) Uani 1 1 d . . .
C12 C 0.5723(3) 0.16021(15) 0.4010(3) 0.0305(6) Uani 1 1 d . . .
H12 H 0.6483 0.1586 0.3606 0.037 Uiso 1 1 calc R . .
C13 C 0.4607(3) 0.17705(17) 0.3361(3) 0.0373(8) Uani 1 1 d . . .
H13 H 0.4611 0.1876 0.2521 0.045 Uiso 1 1 calc R . .
C14 C 0.3492(3) 0.17863(16) 0.3931(3) 0.0377(8) Uani 1 1 d . . .
H14 H 0.2728 0.1896 0.3481 0.045 Uiso 1 1 calc R . .
C15 C 0.3494(3) 0.16422(17) 0.5154(3) 0.0353(7) Uani 1 1 d . . .
H15 H 0.2729 0.1656 0.5549 0.042 Uiso 1 1 calc R . .
C16 C 0.4609(3) 0.14756(15) 0.5815(3) 0.0292(6) Uani 1 1 d . . .
H16 H 0.4599 0.1375 0.6658 0.035 Uiso 1 1 calc R . .
C21 C 0.8270(3) -0.11208(13) 0.8328(3) 0.0253(6) Uani 1 1 d . . .
C22 C 0.9034(3) -0.15631(13) 0.7865(3) 0.0314(7) Uani 1 1 d . . .
H22 H 0.9735 -0.1445 0.7430 0.038 Uiso 1 1 calc R . .
C23 C 0.8788(3) -0.21768(15) 0.8029(3) 0.0361(7) Uani 1 1 d . . .
H23 H 0.9318 -0.2474 0.7705 0.043 Uiso 1 1 calc R . .
C24 C 0.7771(3) -0.23528(15) 0.8664(3) 0.0338(7) Uani 1 1 d . . .
H24 H 0.7611 -0.2771 0.8796 0.041 Uiso 1 1 calc R . .
C25 C 0.6988(3) -0.19150(15) 0.9106(3) 0.0345(7) Uani 1 1 d . . .
H25 H 0.6279 -0.2035 0.9526 0.041 Uiso 1 1 calc R . .
C26 C 0.7233(3) -0.12995(14) 0.8940(3) 0.0305(6) Uani 1 1 d . . .
H26 H 0.6690 -0.1003 0.9246 0.037 Uiso 1 1 calc R . .
C31 C 1.3634(3) 0.05130(14) 1.0193(3) 0.0242(6) Uani 1 1 d . . .
C32 C 1.4740(3) 0.04087(15) 0.9612(3) 0.0337(7) Uani 1 1 d . . .
H32 H 1.4722 0.0417 0.8744 0.040 Uiso 1 1 calc R . .
C33 C 1.5862(3) 0.02941(16) 1.0295(4) 0.0407(9) Uani 1 1 d . . .
H33 H 1.6612 0.0229 0.9894 0.049 Uiso 1 1 calc R . .
C34 C 1.5895(3) 0.02736(16) 1.1556(4) 0.0430(9) Uani 1 1 d . . .
H34 H 1.6667 0.0196 1.2022 0.052 Uiso 1 1 calc R . .
C35 C 1.4801(4) 0.03667(17) 1.2139(3) 0.0411(8) Uani 1 1 d . . .
H35 H 1.4820 0.0347 1.3006 0.049 Uiso 1 1 calc R . .
C36 C 1.3673(3) 0.04889(16) 1.1460(3) 0.0327(7) Uani 1 1 d . . .
H36 H 1.2927 0.0556 1.1866 0.039 Uiso 1 1 calc R . .
C41 C 1.1323(3) 0.30047(13) 0.6776(3) 0.0255(6) Uani 1 1 d . . .
C42 C 1.1683(3) 0.31499(15) 0.5621(3) 0.0352(7) Uani 1 1 d . . .
H42 H 1.1661 0.2848 0.5000 0.042 Uiso 1 1 calc R . .
C43 C 1.2078(4) 0.37348(17) 0.5366(4) 0.0442(9) Uani 1 1 d . . .
H43 H 1.2322 0.3832 0.4572 0.053 Uiso 1 1 calc R . .
C44 C 1.2116(4) 0.41724(16) 0.6259(4) 0.0479(10) Uani 1 1 d . . .
H44 H 1.2382 0.4572 0.6081 0.058 Uiso 1 1 calc R . .
C45 C 1.1770(4) 0.40337(17) 0.7412(4) 0.0528(10) Uani 1 1 d . . .
H45 H 1.1797 0.4338 0.8028 0.063 Uiso 1 1 calc R . .
C46 C 1.1377(4) 0.34445(15) 0.7677(4) 0.0422(8) Uani 1 1 d . . .
H46 H 1.1149 0.3347 0.8476 0.051 Uiso 1 1 calc R . .
C51 C 1.1543(3) 0.03031(14) 0.6128(3) 0.0265(6) Uani 1 1 d . . .
H51A H 1.2038 0.0329 0.6928 0.032 Uiso 1 1 calc R . .
H51B H 1.2078 0.0456 0.5493 0.032 Uiso 1 1 calc R . .
C52 C 1.1201(3) -0.03539(14) 0.5860(3) 0.0332(7) Uani 1 1 d . . .
H52A H 1.0711 -0.0515 0.6522 0.040 Uiso 1 1 calc R . .
H52B H 1.0665 -0.0378 0.5084 0.040 Uiso 1 1 calc R . .
C53 C 1.2366(3) -0.07346(14) 0.5760(3) 0.0326(7) Uani 1 1 d D . .
C54 C 1.2737(4) -0.11626(18) 0.6634(4) 0.0463(9) Uani 1 1 d D . .
H54 H 1.2244 -0.1222 0.7312 0.056 Uiso 1 1 calc R . .
C55 C 1.3824(4) -0.15099(19) 0.6538(4) 0.0550(11) Uani 1 1 d D . .
H55 H 1.4057 -0.1806 0.7142 0.066 Uiso 1 1 calc R . .
C56 C 1.4553(4) -0.14237(19) 0.5575(5) 0.0568(12) Uani 1 1 d D . .
H56 H 1.5291 -0.1660 0.5508 0.068 Uiso 1 1 calc R . .
C57 C 1.4209(4) -0.0991(2) 0.4703(5) 0.0601(12) Uani 1 1 d D . .
H57 H 1.4724 -0.0923 0.4044 0.072 Uiso 1 1 calc R . .
C58 C 1.3113(4) -0.06550(18) 0.4783(4) 0.0491(9) Uani 1 1 d D . .
H58 H 1.2871 -0.0368 0.4164 0.059 Uiso 1 1 calc R . .
C61 C 0.7846(6) 0.1646(3) 0.9205(5) 0.0236(14) Uani 0.527(8) 1 d PU B 1
H61A H 0.7340 0.1529 0.9891 0.028 Uiso 0.527(8) 1 calc PR B 1
H61B H 0.7325 0.1584 0.8429 0.028 Uiso 0.527(8) 1 calc PR B 1
C62 C 0.8245(6) 0.2310(3) 0.9331(6) 0.0304(15) Uani 0.527(8) 1 d PU B 1
H62A H 0.8714 0.2369 1.0136 0.036 Uiso 0.527(8) 1 calc PR B 1
H62B H 0.8826 0.2406 0.8691 0.036 Uiso 0.527(8) 1 calc PR B 1
C63 C 0.7160(7) 0.2747(3) 0.9220(6) 0.0353(15) Uani 0.527(8) 1 d PGDU B 1
C64 C 0.6304(8) 0.2749(5) 0.8138(6) 0.042(2) Uani 0.527(8) 1 d PGDU B 1
H64 H 0.6394 0.2458 0.7512 0.050 Uiso 0.527(8) 1 calc PR B 1
C65 C 0.5341(13) 0.3179(6) 0.8011(14) 0.041(3) Uani 0.527(8) 1 d PDU B 1
H65 H 0.4757 0.3173 0.7313 0.049 Uiso 0.527(8) 1 calc PR B 1
C66 C 0.5240(15) 0.3615(6) 0.8908(17) 0.043(3) Uani 0.527(8) 1 d PDU B 1
H66 H 0.4622 0.3925 0.8796 0.052 Uiso 0.527(8) 1 calc PR B 1
C67 C 0.6032(16) 0.3603(6) 0.9963(15) 0.049(3) Uani 0.527(8) 1 d PDU B 1
H67 H 0.5929 0.3890 1.0593 0.059 Uiso 0.527(8) 1 calc PR B 1
C68 C 0.6982(8) 0.3169(4) 1.0107(8) 0.0417(19) Uani 0.527(8) 1 d PDU B 1
H68 H 0.7520 0.3166 1.0838 0.050 Uiso 0.527(8) 1 calc PR B 1
C61 C 0.8546(6) 0.1904(3) 0.9397(5) 0.0222(15) Uani 0.473(8) 1 d PU B 2
H61C H 0.8879 0.2066 1.0200 0.027 Uiso 0.473(8) 1 calc PR B 2
H61D H 0.8823 0.2174 0.8746 0.027 Uiso 0.473(8) 1 calc PR B 2
C62 C 0.7117(7) 0.1869(3) 0.9336(7) 0.0337(17) Uani 0.473(8) 1 d PU B 2
H62C H 0.6851 0.1657 1.0071 0.040 Uiso 0.473(8) 1 calc PR B 2
H62D H 0.6809 0.1631 0.8608 0.040 Uiso 0.473(8) 1 calc PR B 2
C63 C 0.6536(7) 0.2499(3) 0.9265(6) 0.0303(16) Uani 0.473(8) 1 d PGDU B 2
C64 C 0.5861(8) 0.2706(5) 0.8253(7) 0.035(2) Uani 0.473(8) 1 d PGDU B 2
H64 H 0.5725 0.2442 0.7571 0.043 Uiso 0.473(8) 1 calc PR B 2
C65 C 0.5353(15) 0.3292(7) 0.8169(16) 0.045(4) Uani 0.473(8) 1 d PDU B 2
H65 H 0.4885 0.3418 0.7442 0.054 Uiso 0.473(8) 1 calc PR B 2
C66 C 0.5536(17) 0.3684(7) 0.9145(18) 0.041(3) Uani 0.473(8) 1 d PDU B 2
H66 H 0.5202 0.4084 0.9107 0.049 Uiso 0.473(8) 1 calc PR B 2
C67 C 0.622(2) 0.3478(7) 1.0178(17) 0.048(3) Uani 0.473(8) 1 d PDU B 2
H67 H 0.6361 0.3743 1.0858 0.058 Uiso 0.473(8) 1 calc PR B 2
C68 C 0.6708(9) 0.2898(4) 1.0255(8) 0.0376(19) Uani 0.473(8) 1 d PDU B 2
H68A H 0.7164 0.2768 1.0987 0.045 Uiso 0.473(8) 1 calc PR B 2
Sb Sb 0.968033(17) 0.099822(8) 0.270838(15) 0.02524(5) Uani 1 1 d . . .
F1 F 0.86136(19) 0.06658(10) 0.38232(17) 0.0401(5) Uani 1 1 d . . .
F2 F 1.07466(18) 0.13373(9) 0.15867(16) 0.0348(4) Uani 1 1 d . . .
F3 F 1.0353(2) 0.15299(10) 0.39326(18) 0.0401(5) Uani 1 1 d . . .
F4 F 0.9013(2) 0.04716(10) 0.14753(17) 0.0402(5) Uani 1 1 d . . .
F5 F 0.8450(2) 0.15749(11) 0.22203(19) 0.0458(5) Uani 1 1 d . . .
F6 F 1.0923(2) 0.04334(11) 0.32035(19) 0.0444(5) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N5 Co N3 94.03(10) . . ?
N5 Co N6 179.37(13) . . ?
N3 Co N6 86.06(10) . . ?
N5 Co N1 85.90(10) . . ?
N3 Co N1 179.79(12) . . ?
N6 Co N1 94.01(10) . . ?
N5 Co N4 89.95(10) . . ?
N3 Co N4 89.88(10) . . ?
N6 Co N4 89.43(10) . . ?
N1 Co N4 90.32(10) . . ?
N5 Co N2 89.88(10) . . ?
N3 Co N2 90.08(10) . . ?
N6 Co N2 90.74(10) . . ?
N1 Co N2 89.72(10) . . ?
N4 Co N2 179.82(12) . . ?
CA2 N1 CA1 105.3(2) . . ?
CA2 N1 Co 127.57(19) . . ?
CA1 N1 Co 127.05(19) . . ?
CA3 N2 CA4 104.9(2) . . ?
CA3 N2 Co 127.7(2) . . ?
CA4 N2 Co 127.15(19) . . ?
CA5 N3 CA6 105.2(2) . . ?
CA5 N3 Co 127.49(19) . . ?
CA6 N3 Co 127.3(2) . . ?
CA8 N4 CA7 105.3(2) . . ?
CA8 N4 Co 127.21(19) . . ?
CA7 N4 Co 127.50(19) . . ?
C51 N5 Co 123.43(18) . . ?
C61 N6 C61 36.3(3) . . ?
C61 N6 Co 121.5(2) . . ?
C61 N6 Co 123.4(3) . . ?
N1 CA1 CM4 125.9(3) . . ?
N1 CA1 CB1 110.4(3) . . ?
CM4 CA1 CB1 123.6(3) . . ?
N1 CA2 CM1 126.6(3) . . ?
N1 CA2 CB2 110.0(3) . . ?
CM1 CA2 CB2 123.4(3) . . ?
N2 CA3 CM1 125.4(3) . . ?
N2 CA3 CB3 110.2(3) . . ?
CM1 CA3 CB3 124.3(3) . . ?
N2 CA4 CM2 125.7(3) . . ?
N2 CA4 CB4 110.3(2) . . ?
CM2 CA4 CB4 124.0(3) . . ?
N3 CA5 CM2 126.1(3) . . ?
N3 CA5 CB5 110.8(2) . . ?
CM2 CA5 CB5 123.1(3) . . ?
CM3 CA6 N3 126.0(3) . . ?
CM3 CA6 CB6 123.7(3) . . ?
N3 CA6 CB6 110.1(3) . . ?
N4 CA7 CM3 126.1(3) . . ?
N4 CA7 CB7 110.2(2) . . ?
CM3 CA7 CB7 123.7(3) . . ?
N4 CA8 CM4 126.4(3) . . ?
N4 CA8 CB8 110.5(2) . . ?
CM4 CA8 CB8 123.1(3) . . ?
CB2 CB1 CA1 107.1(3) . . ?
CB1 CB2 CA2 107.1(3) . . ?
CB4 CB3 CA3 107.7(3) . . ?
CB3 CB4 CA4 106.9(3) . . ?
CB6 CB5 CA5 106.7(3) . . ?
CB5 CB6 CA6 107.2(3) . . ?
CB8 CB7 CA7 106.8(3) . . ?
CB7 CB8 CA8 107.3(3) . . ?
CA2 CM1 CA3 122.9(3) . . ?
CA2 CM1 C11 118.3(3) . . ?
CA3 CM1 C11 118.7(3) . . ?
CA4 CM2 CA5 122.9(3) . . ?
CA4 CM2 C21 120.2(3) . . ?
CA5 CM2 C21 116.8(3) . . ?
CA6 CM3 CA7 122.8(3) . . ?
CA6 CM3 C31 118.4(3) . . ?
CA7 CM3 C31 118.7(3) . . ?
CA8 CM4 CA1 123.0(3) . . ?
CA8 CM4 C41 119.4(3) . . ?
CA1 CM4 C41 117.5(3) . . ?
C16 C11 C12 118.7(3) . . ?
C16 C11 CM1 120.4(3) . . ?
C12 C11 CM1 120.9(3) . . ?
C13 C12 C11 120.5(3) . . ?
C14 C13 C12 120.4(3) . . ?
C15 C14 C13 119.6(3) . . ?
C14 C15 C16 120.5(3) . . ?
C11 C16 C15 120.3(3) . . ?
C22 C21 C26 118.9(3) . . ?
C22 C21 CM2 119.0(3) . . ?
C26 C21 CM2 122.0(3) . . ?
C21 C22 C23 121.0(3) . . ?
C24 C23 C22 119.9(3) . . ?
C23 C24 C25 119.5(3) . . ?
C24 C25 C26 120.6(3) . . ?
C21 C26 C25 120.0(3) . . ?
C36 C31 C32 119.0(3) . . ?
C36 C31 CM3 121.1(3) . . ?
C32 C31 CM3 119.9(3) . . ?
C33 C32 C31 120.4(3) . . ?
C34 C33 C32 120.3(3) . . ?
C33 C34 C35 119.7(3) . . ?
C34 C35 C36 120.3(3) . . ?
C31 C36 C35 120.3(3) . . ?
C46 C41 C42 119.4(3) . . ?
C46 C41 CM4 120.1(3) . . ?
C42 C41 CM4 120.5(3) . . ?
C41 C42 C43 120.4(3) . . ?
C44 C43 C42 120.1(3) . . ?
C43 C44 C45 120.2(3) . . ?
C44 C45 C46 120.0(4) . . ?
C41 C46 C45 119.9(3) . . ?
N5 C51 C52 111.5(2) . . ?
C53 C52 C51 111.1(3) . . ?
C54 C53 C58 118.0(3) . . ?
C54 C53 C52 121.7(3) . . ?
C58 C53 C52 120.3(3) . . ?
C53 C54 C55 121.2(4) . . ?
C56 C55 C54 120.1(4) . . ?
C55 C56 C57 119.6(4) . . ?
C56 C57 C58 120.3(4) . . ?
C57 C58 C53 120.7(4) . . ?
N6 C61 C62 108.4(5) . . ?
C63 C62 C61 113.6(5) . . ?
C68 C63 C64 118.1(7) . . ?
C68 C63 C62 121.6(6) . . ?
C64 C63 C62 120.3(6) . . ?
C65 C64 C63 119.9(9) . . ?
C66 C65 C64 119.8(11) . . ?
C67 C66 C65 120.4(10) . . ?
C66 C67 C68 120.2(10) . . ?
C63 C68 C67 121.6(9) . . ?
C62 C61 N6 106.7(5) . . ?
C61 C62 C63 110.9(6) . . ?
C64 C63 C68 117.1(7) . . ?
C64 C63 C62 122.6(7) . . ?
C68 C63 C62 120.3(6) . . ?
C63 C64 C65 122.9(10) . . ?
C66 C65 C64 119.7(12) . . ?
C67 C66 C65 117.8(12) . . ?
C66 C67 C68 122.0(11) . . ?
C67 C68 C63 120.5(9) . . ?
F6 Sb F5 179.11(12) . . ?
F6 Sb F1 89.97(10) . . ?
F5 Sb F1 90.44(10) . . ?
F6 Sb F4 91.07(10) . . ?
F5 Sb F4 89.71(10) . . ?
F1 Sb F4 90.71(9) . . ?
F6 Sb F3 89.10(10) . . ?
F5 Sb F3 90.11(10) . . ?
F1 Sb F3 89.75(9) . . ?
F4 Sb F3 179.51(10) . . ?
F6 Sb F2 90.39(9) . . ?
F5 Sb F2 89.20(10) . . ?
F1 Sb F2 179.62(11) . . ?
F4 Sb F2 89.41(8) . . ?
F3 Sb F2 90.14(9) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Co N5 1.972(2) . ?
Co N3 1.982(2) . ?
Co N6 1.983(2) . ?
Co N1 1.986(2) . ?
Co N4 1.986(2) . ?
Co N2 1.988(2) . ?
N1 CA2 1.374(4) . ?
N1 CA1 1.384(4) . ?
N2 CA3 1.389(4) . ?
N2 CA4 1.389(4) . ?
N3 CA5 1.373(4) . ?
N3 CA6 1.391(4) . ?
N4 CA8 1.371(4) . ?
N4 CA7 1.382(4) . ?
N5 C51 1.500(4) . ?
N6 C61 1.516(6) . ?
N6 C61 1.530(7) . ?
CA1 CM4 1.394(4) . ?
CA1 CB1 1.437(4) . ?
CA2 CM1 1.383(4) . ?
CA2 CB2 1.452(4) . ?
CA3 CM1 1.397(4) . ?
CA3 CB3 1.428(4) . ?
CA4 CM2 1.391(4) . ?
CA4 CB4 1.436(4) . ?
CA5 CM2 1.397(4) . ?
CA5 CB5 1.438(4) . ?
CA6 CM3 1.384(4) . ?
CA6 CB6 1.435(4) . ?
CA7 CM3 1.391(4) . ?
CA7 CB7 1.440(4) . ?
CA8 CM4 1.391(4) . ?
CA8 CB8 1.433(4) . ?
CB1 CB2 1.344(4) . ?
CB3 CB4 1.352(4) . ?
CB5 CB6 1.359(4) . ?
CB7 CB8 1.347(4) . ?
CM1 C11 1.497(4) . ?
CM2 C21 1.501(4) . ?
CM3 C31 1.499(4) . ?
CM4 C41 1.498(4) . ?
C11 C16 1.391(4) . ?
C11 C12 1.395(4) . ?
C12 C13 1.388(4) . ?
C13 C14 1.381(5) . ?
C14 C15 1.377(5) . ?
C15 C16 1.393(4) . ?
C21 C22 1.389(4) . ?
C21 C26 1.390(4) . ?
C22 C23 1.392(4) . ?
C23 C24 1.385(5) . ?
C24 C25 1.385(5) . ?
C25 C26 1.396(4) . ?
C31 C36 1.388(4) . ?
C31 C32 1.397(4) . ?
C32 C33 1.384(5) . ?
C33 C34 1.381(6) . ?
C34 C35 1.384(5) . ?
C35 C36 1.390(5) . ?
C41 C46 1.383(5) . ?
C41 C42 1.387(4) . ?
C42 C43 1.391(5) . ?
C43 C44 1.373(6) . ?
C44 C45 1.376(6) . ?
C45 C46 1.402(5) . ?
C51 C52 1.517(4) . ?
C52 C53 1.507(5) . ?
C53 C54 1.381(5) . ?
C53 C58 1.391(5) . ?
C54 C55 1.398(5) . ?
C55 C56 1.367(6) . ?
C56 C57 1.381(7) . ?
C57 C58 1.390(5) . ?
C61 C62 1.529(8) . ?
C62 C63 1.501(9) . ?
C63 C68 1.369(9) . ?
C63 C64 1.4409 . ?
C64 C65 1.395(11) . ?
C65 C66 1.385(11) . ?
C66 C67 1.380(12) . ?
C67 C68 1.391(11) . ?
C61 C62 1.519(10) . ?
C62 C63 1.520(9) . ?
C63 C64 1.3554 . ?
C63 C68 1.398(9) . ?
C64 C65 1.400(12) . ?
C65 C66 1.379(12) . ?
C66 C67 1.377(12) . ?
C67 C68 1.380(12) . ?
Sb F6 1.867(2) . ?
Sb F5 1.874(2) . ?
Sb F1 1.8764(18) . ?
Sb F4 1.881(2) . ?
Sb F3 1.883(2) . ?
Sb F2 1.8871(18) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N5 Co N1 CA2 91.9(2) . . . . ?
N3 Co N1 CA2 20(35) . . . . ?
N6 Co N1 CA2 -88.8(2) . . . . ?
N4 Co N1 CA2 -178.2(2) . . . . ?
N2 Co N1 CA2 2.0(2) . . . . ?
N5 Co N1 CA1 -90.5(2) . . . . ?
N3 Co N1 CA1 -162(72) . . . . ?
N6 Co N1 CA1 88.8(2) . . . . ?
N4 Co N1 CA1 -0.6(2) . . . . ?
N2 Co N1 CA1 179.6(2) . . . . ?
N5 Co N2 CA3 -85.5(2) . . . . ?
N3 Co N2 CA3 -179.5(2) . . . . ?
N6 Co N2 CA3 94.4(2) . . . . ?
N1 Co N2 CA3 0.4(2) . . . . ?
N4 Co N2 CA3 -103(48) . . . . ?
N5 Co N2 CA4 87.5(2) . . . . ?
N3 Co N2 CA4 -6.5(2) . . . . ?
N6 Co N2 CA4 -92.6(2) . . . . ?
N1 Co N2 CA4 173.4(2) . . . . ?
N4 Co N2 CA4 70(48) . . . . ?
N5 Co N3 CA5 -88.6(2) . . . . ?
N6 Co N3 CA5 92.0(2) . . . . ?
N1 Co N3 CA5 -17(35) . . . . ?
N4 Co N3 CA5 -178.6(2) . . . . ?
N2 Co N3 CA5 1.3(2) . . . . ?
N5 Co N3 CA6 94.9(2) . . . . ?
N6 Co N3 CA6 -84.5(2) . . . . ?
N1 Co N3 CA6 167(100) . . . . ?
N4 Co N3 CA6 4.9(2) . . . . ?
N2 Co N3 CA6 -175.3(2) . . . . ?
N5 Co N4 CA8 85.5(2) . . . . ?
N3 Co N4 CA8 179.5(2) . . . . ?
N6 Co N4 CA8 -94.4(2) . . . . ?
N1 Co N4 CA8 -0.4(2) . . . . ?
N2 Co N4 CA8 103(48) . . . . ?
N5 Co N4 CA7 -93.7(2) . . . . ?
N3 Co N4 CA7 0.3(2) . . . . ?
N6 Co N4 CA7 86.4(2) . . . . ?
N1 Co N4 CA7 -179.6(2) . . . . ?
N2 Co N4 CA7 -76(48) . . . . ?
N3 Co N5 C51 -28.1(2) . . . . ?
N6 Co N5 C51 70(12) . . . . ?
N1 Co N5 C51 152.1(2) . . . . ?
N4 Co N5 C51 61.8(2) . . . . ?
N2 Co N5 C51 -118.1(2) . . . . ?
N5 Co N6 C61 111(12) . . . . ?
N3 Co N6 C61 -150.7(3) . . . . ?
N1 Co N6 C61 29.1(3) . . . . ?
N4 Co N6 C61 119.4(3) . . . . ?
N2 Co N6 C61 -60.6(3) . . . . ?
N5 Co N6 C61 68(12) . . . . ?
N3 Co N6 C61 166.1(3) . . . . ?
N1 Co N6 C61 -14.2(4) . . . . ?
N4 Co N6 C61 76.1(3) . . . . ?
N2 Co N6 C61 -103.9(3) . . . . ?
CA2 N1 CA1 CM4 179.4(3) . . . . ?
Co N1 CA1 CM4 1.3(4) . . . . ?
CA2 N1 CA1 CB1 1.4(3) . . . . ?
Co N1 CA1 CB1 -176.7(2) . . . . ?
CA1 N1 CA2 CM1 179.7(3) . . . . ?
Co N1 CA2 CM1 -2.3(4) . . . . ?
CA1 N1 CA2 CB2 -1.7(3) . . . . ?
Co N1 CA2 CB2 176.3(2) . . . . ?
CA4 N2 CA3 CM1 -177.1(3) . . . . ?
Co N2 CA3 CM1 -2.8(4) . . . . ?
CA4 N2 CA3 CB3 -0.1(3) . . . . ?
Co N2 CA3 CB3 174.17(19) . . . . ?
CA3 N2 CA4 CM2 -179.6(3) . . . . ?
Co N2 CA4 CM2 6.1(4) . . . . ?
CA3 N2 CA4 CB4 0.4(3) . . . . ?
Co N2 CA4 CB4 -173.92(19) . . . . ?
CA6 N3 CA5 CM2 -177.6(3) . . . . ?
Co N3 CA5 CM2 5.2(4) . . . . ?
CA6 N3 CA5 CB5 1.3(3) . . . . ?
Co N3 CA5 CB5 -175.8(2) . . . . ?
CA5 N3 CA6 CM3 174.5(3) . . . . ?
Co N3 CA6 CM3 -8.3(4) . . . . ?
CA5 N3 CA6 CB6 -1.5(3) . . . . ?
Co N3 CA6 CB6 175.7(2) . . . . ?
CA8 N4 CA7 CM3 177.6(3) . . . . ?
Co N4 CA7 CM3 -3.0(4) . . . . ?
CA8 N4 CA7 CB7 -0.1(3) . . . . ?
Co N4 CA7 CB7 179.25(19) . . . . ?
CA7 N4 CA8 CM4 -179.8(3) . . . . ?
Co N4 CA8 CM4 0.9(4) . . . . ?
CA7 N4 CA8 CB8 0.3(3) . . . . ?
Co N4 CA8 CB8 -179.01(19) . . . . ?
N1 CA1 CB1 CB2 -0.5(4) . . . . ?
CM4 CA1 CB1 CB2 -178.5(3) . . . . ?
CA1 CB1 CB2 CA2 -0.6(4) . . . . ?
N1 CA2 CB2 CB1 1.4(4) . . . . ?
CM1 CA2 CB2 CB1 -179.9(3) . . . . ?
N2 CA3 CB3 CB4 -0.2(3) . . . . ?
CM1 CA3 CB3 CB4 176.8(3) . . . . ?
CA3 CB3 CB4 CA4 0.5(3) . . . . ?
N2 CA4 CB4 CB3 -0.5(3) . . . . ?
CM2 CA4 CB4 CB3 179.5(3) . . . . ?
N3 CA5 CB5 CB6 -0.7(4) . . . . ?
CM2 CA5 CB5 CB6 178.3(3) . . . . ?
CA5 CB5 CB6 CA6 -0.2(4) . . . . ?
CM3 CA6 CB6 CB5 -175.1(3) . . . . ?
N3 CA6 CB6 CB5 1.0(4) . . . . ?
N4 CA7 CB7 CB8 -0.2(3) . . . . ?
CM3 CA7 CB7 CB8 -178.0(3) . . . . ?
CA7 CB7 CB8 CA8 0.4(3) . . . . ?
N4 CA8 CB8 CB7 -0.5(3) . . . . ?
CM4 CA8 CB8 CB7 179.6(3) . . . . ?
N1 CA2 CM1 CA3 -0.4(5) . . . . ?
CB2 CA2 CM1 CA3 -178.8(3) . . . . ?
N1 CA2 CM1 C11 179.8(3) . . . . ?
CB2 CA2 CM1 C11 1.3(4) . . . . ?
N2 CA3 CM1 CA2 3.0(4) . . . . ?
CB3 CA3 CM1 CA2 -173.5(3) . . . . ?
N2 CA3 CM1 C11 -177.1(3) . . . . ?
CB3 CA3 CM1 C11 6.3(4) . . . . ?
N2 CA4 CM2 CA5 1.9(4) . . . . ?
CB4 CA4 CM2 CA5 -178.1(3) . . . . ?
N2 CA4 CM2 C21 -175.5(3) . . . . ?
CB4 CA4 CM2 C21 4.4(4) . . . . ?
N3 CA5 CM2 CA4 -7.8(4) . . . . ?
CB5 CA5 CM2 CA4 173.3(3) . . . . ?
N3 CA5 CM2 C21 169.7(3) . . . . ?
CB5 CA5 CM2 C21 -9.2(4) . . . . ?
N3 CA6 CM3 CA7 5.0(4) . . . . ?
CB6 CA6 CM3 CA7 -179.5(3) . . . . ?
N3 CA6 CM3 C31 -174.3(3) . . . . ?
CB6 CA6 CM3 C31 1.1(4) . . . . ?
N4 CA7 CM3 CA6 0.9(4) . . . . ?
CB7 CA7 CM3 CA6 178.3(3) . . . . ?
N4 CA7 CM3 C31 -179.8(3) . . . . ?
CB7 CA7 CM3 C31 -2.3(4) . . . . ?
N4 CA8 CM4 CA1 -0.3(5) . . . . ?
CB8 CA8 CM4 CA1 179.6(3) . . . . ?
N4 CA8 CM4 C41 178.1(3) . . . . ?
CB8 CA8 CM4 C41 -2.0(4) . . . . ?
N1 CA1 CM4 CA8 -0.9(5) . . . . ?
CB1 CA1 CM4 CA8 176.8(3) . . . . ?
N1 CA1 CM4 C41 -179.3(3) . . . . ?
CB1 CA1 CM4 C41 -1.6(4) . . . . ?
CA2 CM1 C11 C16 -116.4(3) . . . . ?
CA3 CM1 C11 C16 63.7(4) . . . . ?
CA2 CM1 C11 C12 61.4(4) . . . . ?
CA3 CM1 C11 C12 -118.5(3) . . . . ?
C16 C11 C12 C13 0.7(5) . . . . ?
CM1 C11 C12 C13 -177.1(3) . . . . ?
C11 C12 C13 C14 -1.0(5) . . . . ?
C12 C13 C14 C15 0.9(5) . . . . ?
C13 C14 C15 C16 -0.6(5) . . . . ?
C12 C11 C16 C15 -0.4(5) . . . . ?
CM1 C11 C16 C15 177.5(3) . . . . ?
C14 C15 C16 C11 0.3(5) . . . . ?
CA4 CM2 C21 C22 115.1(3) . . . . ?
CA5 CM2 C21 C22 -62.5(4) . . . . ?
CA4 CM2 C21 C26 -67.8(4) . . . . ?
CA5 CM2 C21 C26 114.7(3) . . . . ?
C26 C21 C22 C23 -1.3(5) . . . . ?
CM2 C21 C22 C23 175.9(3) . . . . ?
C21 C22 C23 C24 -0.2(5) . . . . ?
C22 C23 C24 C25 1.5(5) . . . . ?
C23 C24 C25 C26 -1.4(5) . . . . ?
C22 C21 C26 C25 1.4(5) . . . . ?
CM2 C21 C26 C25 -175.7(3) . . . . ?
C24 C25 C26 C21 -0.1(5) . . . . ?
CA6 CM3 C31 C36 -70.8(4) . . . . ?
CA7 CM3 C31 C36 109.8(3) . . . . ?
CA6 CM3 C31 C32 110.1(3) . . . . ?
CA7 CM3 C31 C32 -69.3(4) . . . . ?
C36 C31 C32 C33 -1.2(5) . . . . ?
CM3 C31 C32 C33 178.0(3) . . . . ?
C31 C32 C33 C34 0.9(5) . . . . ?
C32 C33 C34 C35 0.2(5) . . . . ?
C33 C34 C35 C36 -0.9(5) . . . . ?
C32 C31 C36 C35 0.4(5) . . . . ?
CM3 C31 C36 C35 -178.7(3) . . . . ?
C34 C35 C36 C31 0.6(5) . . . . ?
CA8 CM4 C41 C46 -73.2(4) . . . . ?
CA1 CM4 C41 C46 105.2(4) . . . . ?
CA8 CM4 C41 C42 108.2(3) . . . . ?
CA1 CM4 C41 C42 -73.4(4) . . . . ?
C46 C41 C42 C43 -1.0(5) . . . . ?
CM4 C41 C42 C43 177.6(3) . . . . ?
C41 C42 C43 C44 0.2(6) . . . . ?
C42 C43 C44 C45 0.3(6) . . . . ?
C43 C44 C45 C46 0.0(7) . . . . ?
C42 C41 C46 C45 1.3(6) . . . . ?
CM4 C41 C46 C45 -177.3(3) . . . . ?
C44 C45 C46 C41 -0.8(6) . . . . ?
Co N5 C51 C52 102.0(3) . . . . ?
N5 C51 C52 C53 176.6(2) . . . . ?
C51 C52 C53 C54 110.4(4) . . . . ?
C51 C52 C53 C58 -68.5(4) . . . . ?
C58 C53 C54 C55 -0.5(6) . . . . ?
C52 C53 C54 C55 -179.5(4) . . . . ?
C53 C54 C55 C56 0.9(6) . . . . ?
C54 C55 C56 C57 0.1(6) . . . . ?
C55 C56 C57 C58 -1.6(7) . . . . ?
C56 C57 C58 C53 2.0(6) . . . . ?
C54 C53 C58 C57 -0.9(6) . . . . ?
C52 C53 C58 C57 178.1(4) . . . . ?
C61 N6 C61 C62 7.6(5) . . . . ?
Co N6 C61 C62 -97.2(4) . . . . ?
N6 C61 C62 C63 175.0(4) . . . . ?
C61 C62 C63 C68 125.6(7) . . . . ?
C61 C62 C63 C64 -57.3(8) . . . . ?
C68 C63 C64 C65 1.0(11) . . . . ?
C62 C63 C64 C65 -176.3(9) . . . . ?
C63 C64 C65 C66 2.2(14) . . . . ?
C64 C65 C66 C67 -4(2) . . . . ?
C65 C66 C67 C68 3(3) . . . . ?
C64 C63 C68 C67 -2.1(15) . . . . ?
C62 C63 C68 C67 175.1(12) . . . . ?
C66 C67 C68 C63 0(2) . . . . ?
C61 N6 C61 C62 6.2(5) . . . . ?
Co N6 C61 C62 105.4(4) . . . . ?
N6 C61 C62 C63 -169.4(5) . . . . ?
C61 C62 C63 C64 112.1(8) . . . . ?
C61 C62 C63 C68 -66.6(9) . . . . ?
C68 C63 C64 C65 0.5(12) . . . . ?
C62 C63 C64 C65 -178.2(11) . . . . ?
C63 C64 C65 C66 0.0(17) . . . . ?
C64 C65 C66 C67 0(3) . . . . ?
C65 C66 C67 C68 0(3) . . . . ?
C66 C67 C68 C63 1(3) . . . . ?
C64 C63 C68 C67 -1.1(17) . . . . ?
C62 C63 C68 C67 177.7(15) . . . . ?
